N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

C13H14F3N3S — CID 164533286

IUPACN-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2nc(NC3CCNCC3)sc2c1
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)8-1-2-10-11(7-8)20-12(19-10)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19)
InChIKeyYBMXFOBIDGPOPO-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.48
Rot. Bonds2

About N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 164533286) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID164533286
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2nc(NC3CCNCC3)sc2c1
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)8-1-2-10-11(7-8)20-12(19-10)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19)
InChIKeyYBMXFOBIDGPOPO-UHFFFAOYSA-N
XLogP3.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 164533286) is N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is FC(F)(F)c1ccc2nc(NC3CCNCC3)sc2c1.
What is the InChIKey of N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YBMXFOBIDGPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c14-13(15,16)8-1-2-10-11(7-8)20-12(19-10)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2,(H,18,19).
What are the key properties of N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 301.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 164533286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).